(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol

C11H22O3 — CID 11148373

IUPAC(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol
SMILESCC[C@H](C)[C@H]1O[C@H](O)[C@@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H22O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h6-13H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-/m0/s1
InChIKeySXDKKNNGHBNYRG-YLZYEPSMSA-N
MW202.29 g/mol
LogP1.38
Rot. Bonds2

About (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol

(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol (PubChem CID 11148373) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol
PubChem CID11148373
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol
SMILESCC[C@H](C)[C@H]1O[C@H](O)[C@@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C11H22O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h6-13H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-/m0/s1
InChIKeySXDKKNNGHBNYRG-YLZYEPSMSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol?
The IUPAC name of (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol (CID 11148373) is (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol.
What is the SMILES notation for (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol?
The canonical SMILES for (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol is CC[C@H](C)[C@H]1O[C@H](O)[C@@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol?
The InChIKey is SXDKKNNGHBNYRG-YLZYEPSMSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6(2)10-7(3)9(12)8(4)11(13)14-10/h6-13H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-/m0/s1.
What are the key properties of (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol?
(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol has a molecular weight of 202.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol is sourced from PubChem (CID 11148373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).